8-benzyl-3-(2-phenylmethoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene

C27H27NO — CID 171967717

IUPAC8-benzyl-3-(2-phenylmethoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene
SMILESC1=C(c2ccccc2OCc2ccccc2)CC2CCC1N2Cc1ccccc1
InChIInChI=1S/C27H27NO/c1-3-9-21(10-4-1)19-28-24-15-16-25(28)18-23(17-24)26-13-7-8-14-27(26)29-20-22-11-5-2-6-12-22/h1-14,17,24-25H,15-16,18-20H2
InChIKeyRCGJFQGPMYTYIJ-UHFFFAOYSA-N
MW381.52 g/mol
LogP6.09
Rot. Bonds6

About 8-benzyl-3-(2-phenylmethoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene

8-benzyl-3-(2-phenylmethoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene (PubChem CID 171967717) has the molecular formula C27H27NO and a molecular weight of 381.52 g/mol. Its IUPAC name is 8-benzyl-3-(2-phenylmethoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name8-benzyl-3-(2-phenylmethoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene
PubChem CID171967717
Molecular FormulaC27H27NO
Molecular Weight381.52 g/mol
Exact Mass381.21
IUPAC Name8-benzyl-3-(2-phenylmethoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene
SMILESC1=C(c2ccccc2OCc2ccccc2)CC2CCC1N2Cc1ccccc1
InChIInChI=1S/C27H27NO/c1-3-9-21(10-4-1)19-28-24-15-16-25(28)18-23(17-24)26-13-7-8-14-27(26)29-20-22-11-5-2-6-12-22/h1-14,17,24-25H,15-16,18-20H2
InChIKeyRCGJFQGPMYTYIJ-UHFFFAOYSA-N
XLogP6.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171971014
9-benzyl-3-(2-ethoxyphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171971041
benzyl 3-(2-phenylmethoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
CID 171967107
8-benzyl-3-(2-ethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171972933
8-benzyl-3-(5-phenylmethoxy-3-pyridinyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171967780
8-benzyl-3-(2,4-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171972922
8-benzyl-3-(2,5-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171972923
8-benzyl-3-phenanthren-9-yl-8-azabicyclo[3.2.1]oct-2-ene
CID 171967825
9-benzyl-3-(2-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171968666
3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-4-methoxybenzonitrile
CID 171971250
3-(2-phenylmethoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene
CID 171973331
4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline
CID 171966604

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-(2-phenylmethoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 8-benzyl-3-(2-phenylmethoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene (CID 171967717) is 8-benzyl-3-(2-phenylmethoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 8-benzyl-3-(2-phenylmethoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 8-benzyl-3-(2-phenylmethoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene is C1=C(c2ccccc2OCc2ccccc2)CC2CCC1N2Cc1ccccc1.
What is the InChIKey of 8-benzyl-3-(2-phenylmethoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene?
The InChIKey is RCGJFQGPMYTYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO/c1-3-9-21(10-4-1)19-28-24-15-16-25(28)18-23(17-24)26-13-7-8-14-27(26)29-20-22-11-5-2-6-12-22/h1-14,17,24-25H,15-16,18-20H2.
What are the key properties of 8-benzyl-3-(2-phenylmethoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene?
8-benzyl-3-(2-phenylmethoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene has a molecular weight of 381.52 g/mol, XLogP of 6.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-(2-phenylmethoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 171967717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).